2-(2-Methyl-5-nitrophenylamino)-4-(4-methyl-phenyl)-4-oxobut-2-enoic acid | 1292813-50-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-(2-Methyl-5-nitrophenylamino)-4-(4-methyl-phenyl)-4-oxobut-2-enoic acid
• 英文别名: 2-(2-methyl-5-nitroanilino)-4-(4-methylphenyl)-4-oxobut-2-enoic acid
• CAS: 1292813-50-3
• 化学式: C₁₈H₁₆N₂O₅
• 分子量: 340.335
• InChiKey: OSMXYOFJJONHRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(2-Methyl-5-nitrophenylamino)-4-(4-methyl-phenyl)-4-oxobut-2-enoic acid 在 乙酸酐 作用下， 反应 0.25h， 以44%的产率得到3-(2-methyl-5-nitrophenylimino)-5-(4-methylphenyl)-3H-furan-2-one
  参考文献：
  名称：

  Iminofuran chemistry: VII. Intramolecular cyclization of 2-N-aryl-substituted derivatives of 2-amino-4-aryl-4-oxobut-2-enoic and 2-amino-5,5-dimethyl4-oxohex-2-enoic acids

  摘要：

  The cyclization at the treatment of acetic anhydride of 4-aryl-2-arylamino-4-oxobut-2-enoic and 2-arylamino-5,5-dimethyl-4-oxohex-2-enoic acids was investigated furnishing derivatives of 5-aryl-3-aryl-imino-3H-furan-2-ones and 4-arylamino-2-tert-butyl-2,5-dihydro-5-oxofuran-2-yl acetate respectively. 2-N-2-Methylene-substituted 4-aryl-2-hydrazino-4-oxobut-2-enoic and 5,5-dimethyl-2-hydrazino-4-oxohex-2-enoic acids cleanly underwent cyclization under the effect of acetic anhydride into 5-aryl-3-hydrazono-3H-furan-2-ones and 5-tert-butyl-3-hydrazono-3H-furan-2-ones.

  DOI：

  10.1134/s1070428011020163

文献信息

• Chemistry of iminofuran: VIII. Recyclization of 5-aryl-3-arylimino-3H-furan-2-ones effected by cyanoacetic acid derivatives
  作者：S. S. Kharitonova、N. M. Igidov、A. V. Zakhmatov、A. E. Rubtsov

  DOI：10.1134/s1070428013020115

  日期：2013.2

  The recyclization of 5-aryl-3-arylimino-3H-furan-2-ones under the action of esters, nitriles, and amides of cycnoacetic acids resulted in the corresponding esters, nitriles, and amides of (5E)-2-amino-1-aryl-4-oxo-5-(2-oxoethylidene)-1H-4,5-dihydropyrrole-3-carboxylic acids.